2,4-dichloro-N-[2-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide
Chemical Structure Depiction of
2,4-dichloro-N-[2-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide
2,4-dichloro-N-[2-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide
Compound characteristics
Compound ID: | 8019-0979 |
Compound Name: | 2,4-dichloro-N-[2-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide |
Molecular Weight: | 641.44 |
Molecular Formula: | C28 H28 Cl2 F6 N2 O4 |
Smiles: | CC1(C)CC(=C(C(C1)=O)C(C(F)(F)F)(C(F)(F)F)NC(c1ccc(cc1[Cl])[Cl])=O)NCCc1ccc(c(c1)OC)OC |
Stereo: | ACHIRAL |
logP: | 6.2577 |
logD: | -5.0943 |
logSw: | -6.1497 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 62.628 |
InChI Key: | WHEQUEMXPSMZFV-UHFFFAOYSA-N |